6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride

• ChemBase ID: 275182
• Molecular Formular: C7H5BrClN3O2S
• Molecular Mass: 310.5555
• Monoisotopic Mass: 308.8974371
• SMILES: c12c(S(=O)(=O)Cl)c(nn1cc(cn2)Br)C
• Canonical SMILES: Brc1cnc2n(c1)nc(c2S(=O)(=O)Cl)C
• InChI: InChI=1S/C7H5BrClN3O2S/c1-4-6(15(9,13)14)7-10-2-5(8)3-12(7)11-4/h2-3H,1H3
• InChIKey: NQKSRPHDFALUEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride
• IUPAC Traditional name: 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride
• Synonyms: 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride

Database IDs

• MDL Number: MFCD18839107
• PubChem SID: 164331092
• PubChem CID: 54593560

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4993902
• LogD (pH = 7.4): 1.4993984
• Log P: 1.4993985
• Molar Refractivity: 70.1821 cm^3
• Polarizability: 23.421412 Å^3
• Polar Surface Area: 64.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.354

Product Information

• Purity: 95%